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Name: {(2R)-7-nitro-8-[3-oxo-1-propenyl]-2,3-dihydro-1,4-benzodioxin-2-yl}methyl 4-methylbenzenesulfonate

IUPAC: [(3R)-6-nitro-5-(3-oxoprop-1-enyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate

SMILES: Cc1ccc(S(=O)(=O)OC[C@H]2COc3ccc([N+](=O)[O-])c(C=CC=O)c3O2)cc1

Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=C(O2)C(=C(C=C3)[N+](=O)[O-])C=CC=O

Summenformel: C19H17NO8S

Molare Masse: 419.40

InChIKey: KAOAGXLVPUNUAG-CQSZACIVSA-N

InChI: InChI=1S/C19H17NO8S/c1-13-4-6-15(7-5-13)29(24,25)27-12-14-11-26-18-9-8-17(20(22)23)16(3-2-10-21)19(18)28-14/h2-10,14H,11-12H2,1H3/t14-/m1/s1

PubChem CID: 86586348 →

Synonyme

SCHEMBL4357747KAOAGXLVPUNUAG-CQSZACIVSA-N{(2R)-7-nitro-8-[3-oxo-1-propenyl]-2,3-dihydro-1,4-benzo-dioxin-2-yl}methyl 4-methylbenzenesulfonate{(2R)-7-nitro-8-[3-oxo-1-propenyl]-2,3-dihydro-1,4-benzodioxin-2-yl}methyl 4-methylbenzenesulfonate{(2R)-7-nitro-8-[3-oxo-1-propenyl]-2,3-dihydro-1,4-benzodioxin-2-yl}methyl4-methylbenzenesulfonate{(2R)-7-nitro-8-[3oxo-1-propenyl]-2,3-dihydro-1,4-benzodioxin-2-yl}methyl 4-methylbenzenesulfonate

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